#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtj s LYS 5 N 0.00 1.43 0.30 2.12 0.00 -1.26 -4.33 119.74 118.00 1dtj s LYS 5 Ca 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 55.97 54.39 1dtj s LYS 5 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 37.83 36.35 1dtj s LYS 5 CO 0.00 0.28 0.36 -1.83 0.00 0.00 0.00 175.35 174.16 1dtj s GLU 6 N -3.20 1.68 -0.07 1.78 -1.05 0.55 -4.95 118.70 113.45 1dtj s GLU 6 Ca 0.22 -1.73 0.03 0.00 -0.15 0.00 0.00 54.97 53.34 1dtj s GLU 6 Cb -0.04 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1dtj s GLU 6 CO 0.09 -0.66 -0.16 -1.17 0.95 0.00 0.00 175.26 174.32 1dtj s LEU 7 N -3.23 1.79 -0.07 1.83 0.20 -1.26 -1.88 118.68 116.07 1dtj s LEU 7 Ca 0.34 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.83 1dtj s LEU 7 Cb 0.02 -0.97 -0.02 0.00 -0.43 0.00 0.00 46.19 44.79 1dtj s LEU 7 CO 0.19 0.08 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.49 1dtj s VAL 8 N 0.46 2.90 -0.10 1.68 1.01 0.10 -4.97 120.40 121.48 1dtj s VAL 8 Ca -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1dtj s VAL 8 Cb -0.15 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1dtj s VAL 8 CO 0.04 0.57 -0.19 -0.70 0.00 0.00 0.00 175.10 174.83 1dtj s GLU 9 N -0.42 2.51 0.18 2.72 2.12 -1.26 -0.72 118.70 123.83 1dtj s GLU 9 Ca 0.05 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.72 1dtj s GLU 9 Cb -0.12 -2.02 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 1dtj s GLU 9 CO 0.02 0.04 -0.01 0.00 -0.54 0.00 0.00 175.26 174.77 1dtj s MET 10 N 0.70 1.13 -0.09 4.30 0.23 -0.67 -4.98 119.30 119.92 1dtj s MET 10 Ca -0.12 -1.54 -0.03 0.00 -1.03 0.00 0.00 55.69 52.96 1dtj s MET 10 Cb -0.16 -0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.76 1dtj s MET 10 CO 0.03 -0.11 0.05 0.00 -2.03 0.00 0.00 175.02 172.96 1dtj s ALA 11 N -3.60 3.48 -0.17 3.16 0.00 -1.26 0.18 121.76 123.55 1dtj s ALA 11 Ca 0.24 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1dtj s ALA 11 Cb 0.06 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1dtj s ALA 11 CO 0.04 0.60 0.02 0.08 0.00 0.00 0.00 175.76 176.50 1dtj s VAL 12 N -0.94 0.58 0.21 0.00 1.01 0.30 -4.93 120.40 116.63 1dtj s VAL 12 Ca 0.14 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1dtj s VAL 12 Cb -0.12 -1.00 -0.16 0.00 0.00 0.00 0.00 36.38 35.10 1dtj s VAL 12 CO 0.03 -0.11 0.88 -0.81 0.00 0.00 0.00 175.10 175.10 1dtj n PRO 13 N 5.04 0.75 -0.12 2.72 -0.04 -1.26 -0.35 135.00 141.73 1dtj n PRO 13 Ca -0.09 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1dtj n PRO 13 Cb 0.47 -1.55 0.50 0.00 -0.04 0.00 0.00 33.50 32.88 1dtj n PRO 13 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1dtj h GLU 14 N 2.06 0.41 -0.02 0.54 4.57 -1.32 -1.91 114.58 118.91 1dtj h GLU 14 Ca -0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1dtj h GLU 14 Cb 1.38 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1dtj h GLU 14 CO 0.62 0.27 0.00 0.27 -1.18 0.00 0.00 179.01 178.99 1dtj n ASN 15 N -4.47 0.15 0.00 1.04 6.94 -1.26 -3.17 115.26 114.48 1dtj n ASN 15 Ca 0.12 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1dtj n ASN 15 Cb 0.44 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1dtj n ASN 15 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dtj n LEU 16 N -0.60 0.00 -0.27 -4.53 7.99 -0.74 -4.75 117.00 114.09 1dtj n LEU 16 Ca 0.10 -0.27 0.18 0.00 -0.01 0.00 0.00 56.01 56.01 1dtj n LEU 16 Cb 0.07 0.00 0.48 0.00 -0.11 0.00 0.00 43.42 43.85 1dtj n LEU 16 CO 0.07 0.00 1.22 0.58 -1.51 0.00 0.00 177.39 177.75 1dtj h VAL 17 N 0.00 0.67 0.00 4.08 2.07 -1.45 1.02 116.25 122.63 1dtj h VAL 17 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1dtj h VAL 17 Cb 0.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1dtj h VAL 17 CO 0.00 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.95 1dtj h GLY 18 N 0.47 0.00 0.64 2.17 0.00 -1.85 -0.50 103.07 104.00 1dtj h GLY 18 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.71 1dtj h GLY 18 CO -0.22 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 175.82 1dtj h ALA 19 N 1.90 0.04 0.35 3.60 0.00 0.74 -1.82 119.26 124.08 1dtj h ALA 19 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1dtj h ALA 19 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dtj h ALA 19 CO 0.00 0.26 -0.17 0.82 0.00 0.00 0.00 179.25 180.16 1dtj h ILE 20 N -0.29 0.66 -0.41 0.00 2.04 -1.09 -2.82 117.51 115.60 1dtj h ILE 20 Ca -0.07 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1dtj h ILE 20 Cb 1.25 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1dtj h ILE 20 CO 0.10 0.03 0.14 -0.07 0.00 0.00 0.00 178.15 178.35 1dtj h LEU 21 N -0.55 0.14 0.00 1.44 4.07 -1.53 -3.20 115.31 115.68 1dtj h LEU 21 Ca -0.05 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dtj h LEU 21 Cb 0.41 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1dtj h LEU 21 CO 0.08 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 1dtj n GLY 22 N -1.24 1.19 0.55 0.83 0.00 -0.68 -1.49 105.19 104.35 1dtj n GLY 22 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1dtj n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dtj n LYS 23 N -2.00 0.00 -0.28 1.61 5.02 -1.26 -4.75 118.16 116.50 1dtj n LYS 23 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1dtj n LYS 23 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1dtj n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dtj n GLY 24 N 1.22 1.10 2.36 0.72 0.00 -1.26 -3.52 105.19 105.81 1dtj n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dtj n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dtj n GLY 25 N -2.00 0.91 0.34 -0.02 0.00 -1.24 -4.94 105.19 98.23 1dtj n GLY 25 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1dtj n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dtj n LYS 26 N -2.00 -0.33 -0.08 1.61 -0.00 -1.18 -0.64 118.16 115.55 1dtj n LYS 26 Ca 0.00 1.25 -0.10 0.00 -0.00 0.00 0.00 58.31 59.46 1dtj n LYS 26 Cb 0.00 -1.84 -0.03 0.00 -0.00 0.00 0.00 35.03 33.15 1dtj n LYS 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1dtj h THR 27 N 0.00 1.19 -0.80 0.58 2.02 -1.49 -0.19 112.91 114.23 1dtj h THR 27 Ca 0.16 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1dtj h THR 27 Cb 0.37 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1dtj h THR 27 CO -0.78 0.20 0.53 0.25 0.37 0.00 0.00 175.52 176.09 1dtj h LEU 28 N 0.26 0.87 -0.32 2.58 6.46 -1.24 0.36 115.31 124.28 1dtj h LEU 28 Ca 0.08 -0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.68 1dtj h LEU 28 Cb 0.23 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1dtj h LEU 28 CO -0.00 0.61 -0.37 0.58 -0.62 0.00 0.00 178.44 178.63 1dtj h VAL 29 N 1.01 1.29 -0.54 1.05 2.07 -0.59 -2.39 116.25 118.15 1dtj h VAL 29 Ca 0.31 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1dtj h VAL 29 Cb -0.01 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1dtj h VAL 29 CO -0.08 0.51 0.14 -0.08 0.02 0.00 0.00 177.57 178.07 1dtj h GLU 30 N 0.60 0.86 -0.38 1.57 4.81 -0.12 0.20 114.58 122.10 1dtj h GLU 30 Ca 0.04 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1dtj h GLU 30 Cb 0.96 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1dtj h GLU 30 CO 0.09 0.80 -0.02 1.88 -0.73 0.00 0.00 179.01 181.04 1dtj h TYR 31 N 0.75 0.65 -0.20 0.92 0.99 -0.22 0.97 116.97 120.83 1dtj h TYR 31 Ca 0.17 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1dtj h TYR 31 Cb 0.33 -0.18 -0.01 0.00 1.00 0.00 0.00 36.73 37.87 1dtj h TYR 31 CO 0.02 0.63 -0.01 1.96 -0.00 0.00 0.00 178.16 180.77 1dtj h GLN 32 N 0.58 0.37 -0.39 4.88 4.20 -1.22 -1.88 115.11 121.64 1dtj h GLN 32 Ca 0.12 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1dtj h GLN 32 Cb 0.40 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1dtj h GLN 32 CO 0.02 0.57 0.04 1.49 -0.67 0.00 0.00 178.83 180.27 1dtj h GLU 33 N 0.12 0.14 -0.51 1.46 4.81 -0.26 0.37 114.58 120.72 1dtj h GLU 33 Ca 0.06 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1dtj h GLU 33 Cb 0.41 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1dtj h GLU 33 CO 0.01 0.10 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.17 1dtj h LEU 34 N 0.15 1.01 0.01 1.64 3.38 -0.79 -3.35 115.31 117.36 1dtj h LEU 34 Ca 0.19 -0.37 -0.31 0.00 0.09 0.00 0.00 57.88 57.48 1dtj h LEU 34 Cb 0.26 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1dtj h LEU 34 CO -0.29 1.15 -1.81 0.35 0.09 0.00 0.00 178.44 177.93 1dtj n THR 35 N -4.15 1.61 -0.83 0.22 -2.24 -0.71 -4.97 114.28 103.20 1dtj n THR 35 Ca 0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1dtj n THR 35 Cb 0.42 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1dtj n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dtj n GLY 36 N 1.63 0.55 3.87 3.38 0.00 0.13 -4.73 105.19 110.03 1dtj n GLY 36 Ca -0.20 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1dtj n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtj s ALA 37 N -2.00 3.86 0.00 4.61 0.00 -1.24 -4.83 121.76 122.17 1dtj s ALA 37 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1dtj s ALA 37 Cb 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1dtj s ALA 37 CO 0.00 0.76 0.64 1.03 0.00 0.00 0.00 175.76 178.18 1dtj s ARG 38 N -2.07 4.36 -0.06 0.00 1.81 -0.29 -4.43 118.95 118.28 1dtj s ARG 38 Ca 0.28 0.81 0.03 0.00 -1.72 0.00 0.00 55.73 55.14 1dtj s ARG 38 Cb -0.13 -3.35 0.01 0.00 -0.45 0.00 0.00 34.95 31.03 1dtj s ARG 38 CO 0.20 0.33 -0.14 0.42 -0.68 0.00 0.00 175.30 175.44 1dtj s ILE 39 N -0.11 1.23 0.01 1.52 1.01 -1.26 -0.84 121.20 122.76 1dtj s ILE 39 Ca 0.33 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1dtj s ILE 39 Cb -0.19 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1dtj s ILE 39 CO 0.18 0.37 -0.06 -1.10 0.00 0.00 0.00 174.94 174.33 1dtj s GLN 40 N 0.45 0.48 -0.04 2.79 -0.21 0.25 -4.98 119.66 118.39 1dtj s GLN 40 Ca -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 54.89 1dtj s GLN 40 Cb -0.14 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.44 1dtj s GLN 40 CO 0.03 0.10 -0.08 0.42 -2.12 0.00 0.00 175.29 173.64 1dtj s ILE 41 N -0.57 3.58 1.15 1.08 1.01 -1.26 -0.23 121.20 125.96 1dtj s ILE 41 Ca -0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1dtj s ILE 41 Cb -0.05 -2.48 0.19 0.00 0.01 0.00 0.00 42.46 40.13 1dtj s ILE 41 CO 0.00 0.53 0.43 -1.54 0.00 0.00 0.00 174.94 174.36 1dtj n SER 42 N 2.02 -2.14 -4.69 3.58 3.41 0.70 -4.79 113.62 111.71 1dtj n SER 42 Ca -0.17 -0.15 -0.64 0.00 -0.26 0.00 0.00 58.87 57.65 1dtj n SER 42 Cb 0.53 -1.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1dtj n SER 42 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1dtj n LYS 43 N -3.31 0.24 0.00 4.33 0.00 -1.26 -4.66 118.16 113.50 1dtj n LYS 43 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1dtj n LYS 43 Cb 0.59 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 1dtj n LYS 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1dtj n LYS 44 N 3.70 0.00 0.00 -1.58 5.02 -1.26 -0.32 118.16 123.72 1dtj n LYS 44 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1dtj n LYS 44 Cb 0.01 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1dtj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dtj n GLY 45 N -0.39 0.00 3.66 0.72 0.00 -1.26 -5.11 105.19 102.81 1dtj n GLY 45 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1dtj n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dtj s GLU 46 N -1.41 2.52 0.32 1.61 2.12 0.57 -5.11 118.70 119.31 1dtj s GLU 46 Ca 0.00 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.52 1dtj s GLU 46 Cb 0.00 -2.52 0.01 0.00 0.26 0.00 0.00 34.13 31.88 1dtj s GLU 46 CO 0.00 0.55 0.10 1.19 -0.54 0.00 0.00 175.26 176.57 1dtj n PHE 47 N 0.81 -0.00 -1.08 5.30 3.01 -1.26 -4.30 117.46 119.94 1dtj n PHE 47 Ca -0.12 -1.46 -0.13 0.00 1.01 0.00 0.00 57.45 56.75 1dtj n PHE 47 Cb 0.52 -0.23 0.10 0.00 -0.01 0.00 0.00 39.48 39.86 1dtj n PHE 47 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1dtj n LEU 48 N 0.00 0.00 0.00 4.37 4.77 -0.77 -4.94 117.00 120.43 1dtj n LEU 48 Ca -0.08 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1dtj n LEU 48 Cb 0.38 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1dtj n LEU 48 CO 0.21 -1.21 0.00 -2.65 -1.33 0.00 0.00 177.39 172.41 1dtj n PRO 49 N -2.60 0.03 -1.04 3.23 -0.02 -1.26 -3.02 135.00 130.33 1dtj n PRO 49 Ca 0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1dtj n PRO 49 Cb 0.26 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.58 1dtj n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dtj n GLY 50 N 0.00 3.14 3.63 -1.23 0.00 -1.26 -4.81 105.19 104.65 1dtj n GLY 50 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 1dtj n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dtj s THR 51 N 1.00 3.51 -0.15 2.61 2.01 -1.17 -4.99 115.64 118.46 1dtj s THR 51 Ca 0.67 -1.58 0.14 0.00 0.31 0.00 0.00 61.69 61.23 1dtj s THR 51 Cb 0.31 -2.78 0.38 0.00 0.01 0.00 0.00 72.50 70.42 1dtj s THR 51 CO -0.01 -0.16 1.19 -2.11 -0.69 0.00 0.00 174.62 172.84 1dtj n ARG 52 N -0.21 1.21 -4.07 4.92 0.00 -1.26 -4.52 116.66 112.72 1dtj n ARG 52 Ca -0.09 -2.86 -0.35 0.00 -0.00 0.00 0.00 57.85 54.55 1dtj n ARG 52 Cb 0.56 -1.29 -0.10 0.00 -0.00 0.00 0.00 32.46 31.63 1dtj n ARG 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1dtj s ASN 53 N -2.87 5.58 0.54 2.89 0.01 -1.26 -0.82 114.94 119.00 1dtj s ASN 53 Ca 0.34 0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 52.52 1dtj s ASN 53 Cb 0.34 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 40.06 1dtj s ASN 53 CO -0.06 0.22 0.90 -0.13 -1.51 0.00 0.00 177.10 176.52 1dtj s ARG 54 N 0.07 3.61 -0.16 -0.60 0.52 0.53 -1.84 118.95 121.08 1dtj s ARG 54 Ca 0.05 0.51 -0.13 0.00 -0.52 0.00 0.00 55.73 55.64 1dtj s ARG 54 Cb -0.12 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 1dtj s ARG 54 CO 0.01 -0.35 0.26 0.50 0.02 0.00 0.00 175.30 175.74 1dtj s ARG 55 N -4.81 4.20 -0.11 3.54 3.52 -1.26 -0.54 118.95 123.50 1dtj s ARG 55 Ca 0.52 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 1dtj s ARG 55 Cb -0.11 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1dtj s ARG 55 CO 0.47 0.28 -0.14 0.08 -0.81 0.00 0.00 175.30 175.18 1dtj s VAL 56 N 0.35 2.99 -0.15 7.11 1.01 0.13 -0.21 120.40 131.62 1dtj s VAL 56 Ca 0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1dtj s VAL 56 Cb -0.13 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1dtj s VAL 56 CO 0.03 0.54 -0.09 -0.89 0.00 0.00 0.00 175.10 174.69 1dtj s THR 57 N 0.15 3.38 -0.11 3.92 2.01 0.68 -1.67 115.64 124.00 1dtj s THR 57 Ca -0.07 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1dtj s THR 57 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1dtj s THR 57 CO 0.05 0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.65 1dtj s ILE 58 N 0.49 1.83 0.07 1.82 1.01 0.10 -0.59 121.20 125.93 1dtj s ILE 58 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.79 1dtj s ILE 58 Cb -0.15 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1dtj s ILE 58 CO 0.04 0.51 -0.17 0.42 0.00 0.00 0.00 174.94 175.74 1dtj s THR 59 N 0.71 1.35 -5.00 2.92 -4.23 -0.02 0.03 115.64 111.41 1dtj s THR 59 Ca -0.11 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1dtj s THR 59 Cb -0.16 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1dtj s THR 59 CO 0.02 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1dtj n GLY 60 N 1.40 -0.11 3.74 3.99 0.00 -0.78 -1.14 105.19 112.29 1dtj n GLY 60 Ca -0.20 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1dtj n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dtj s SER 61 N -4.00 3.97 0.23 1.61 1.04 -1.26 -0.33 113.70 114.95 1dtj s SER 61 Ca 0.00 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.96 1dtj s SER 61 Cb 0.00 -2.30 0.24 0.00 0.10 0.00 0.00 66.02 64.06 1dtj s SER 61 CO 0.00 -2.34 1.87 -0.65 0.98 0.00 0.00 173.24 173.09 1dtj h PRO 62 N -1.34 0.97 -0.48 4.02 0.11 -1.93 -0.81 132.00 132.53 1dtj h PRO 62 Ca -0.47 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1dtj h PRO 62 Cb 1.26 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1dtj h PRO 62 CO 0.54 0.64 -0.10 0.00 -0.21 0.00 0.00 178.00 178.86 1dtj h ALA 63 N 1.34 0.90 -0.04 -0.75 0.00 -1.96 -0.76 119.26 118.00 1dtj h ALA 63 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dtj h ALA 63 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dtj h ALA 63 CO -0.12 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 1dtj h ALA 64 N 1.08 0.05 -1.00 0.00 0.00 -1.78 -1.79 119.26 115.83 1dtj h ALA 64 Ca 0.13 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1dtj h ALA 64 Cb 0.62 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1dtj h ALA 64 CO 0.04 -0.26 0.64 1.15 0.00 0.00 0.00 179.25 180.83 1dtj h THR 65 N -0.27 1.08 -0.13 0.00 2.02 -1.09 -1.34 112.91 113.19 1dtj h THR 65 Ca 0.01 -0.40 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 1dtj h THR 65 Cb 0.37 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1dtj h THR 65 CO 0.00 0.21 -0.65 -0.61 0.37 0.00 0.00 175.52 174.84 1dtj h GLN 66 N 1.16 0.49 -0.51 6.66 4.15 -1.00 -1.20 115.11 124.86 1dtj h GLN 66 Ca 0.43 -0.36 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1dtj h GLN 66 Cb 0.18 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1dtj h GLN 66 CO -0.18 0.98 -0.12 0.00 -1.93 0.00 0.00 178.83 177.58 1dtj h ALA 67 N 0.93 0.82 -0.19 3.38 0.00 -0.84 -0.15 119.26 123.21 1dtj h ALA 67 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1dtj h ALA 67 Cb 1.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1dtj h ALA 67 CO 0.12 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.86 1dtj h ALA 68 N 1.00 0.28 -0.35 0.00 0.00 -1.18 -0.87 119.26 118.13 1dtj h ALA 68 Ca 0.13 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1dtj h ALA 68 Cb 0.67 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1dtj h ALA 68 CO 0.05 0.18 0.16 0.37 0.00 0.00 0.00 179.25 180.01 1dtj h GLN 69 N 0.12 0.33 -0.26 0.00 -0.00 -1.15 -0.88 115.11 113.28 1dtj h GLN 69 Ca 0.03 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.69 1dtj h GLN 69 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.07 1dtj h GLN 69 CO 0.04 0.22 0.08 -0.92 0.00 0.00 0.00 178.83 178.25 1dtj h TYR 70 N 0.34 0.14 -0.49 3.99 3.20 -0.91 0.69 116.97 123.93 1dtj h TYR 70 Ca 0.15 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1dtj h TYR 70 Cb 0.08 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1dtj h TYR 70 CO -0.11 0.06 0.17 -0.07 -1.64 0.00 0.00 178.16 176.57 1dtj h LEU 71 N 0.19 0.66 -0.27 2.82 3.38 -0.76 -2.09 115.31 119.24 1dtj h LEU 71 Ca 0.12 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1dtj h LEU 71 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1dtj h LEU 71 CO -0.13 0.62 -0.22 0.40 0.09 0.00 0.00 178.44 179.20 1dtj h ILE 72 N 0.71 1.31 -0.77 1.22 1.08 -0.57 -3.09 117.51 117.39 1dtj h ILE 72 Ca 0.17 -1.36 0.15 0.00 -0.39 0.00 0.00 64.86 63.42 1dtj h ILE 72 Cb 0.19 1.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.48 1dtj h ILE 72 CO -0.01 0.43 0.51 0.28 -0.69 0.00 0.00 178.15 178.67 1dtj h SER 73 N 0.34 0.43 -0.82 1.72 0.02 -0.24 -0.54 113.55 114.46 1dtj h SER 73 Ca 0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1dtj h SER 73 Cb 0.76 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 1dtj h SER 73 CO 0.06 0.22 0.47 1.56 -1.14 0.00 0.00 176.83 178.00 1dtj h GLN 74 N 0.45 1.14 -0.00 3.45 1.08 -1.33 -2.04 115.11 117.86 1dtj h GLN 74 Ca 0.38 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1dtj h GLN 74 Cb 0.83 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1dtj h GLN 74 CO -0.13 0.82 -0.06 0.54 -0.95 0.00 0.00 178.83 179.05 1dtj n ARG 75 N -4.36 0.65 -1.70 1.46 5.12 -0.23 -4.26 116.66 113.35 1dtj n ARG 75 Ca 0.09 -0.14 -0.40 0.00 -1.93 0.00 0.00 57.85 55.47 1dtj n ARG 75 Cb 0.08 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 1dtj n ARG 75 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1dtj n VAL 76 N -1.05 4.78 -0.53 1.55 0.31 -0.77 -4.86 118.33 117.77 1dtj n VAL 76 Ca 0.16 -3.54 0.00 0.00 -0.01 0.00 0.00 64.34 60.95 1dtj n VAL 76 Cb 0.25 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 1dtj n VAL 76 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92